Bayesian matrix completion for hypothesis testing.

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2023-03-15 eCollection Date: 2023-05-01 DOI:10.1093/jrsssc/qlac005
Bora Jin, David B Dunson, Julia E Rager, David M Reif, Stephanie M Engel, Amy H Herring
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Abstract

We aim to infer bioactivity of each chemical by assay endpoint combination, addressing sparsity of toxicology data. We propose a Bayesian hierarchical framework which borrows information across different chemicals and assay endpoints, facilitates out-of-sample prediction of activity for chemicals not yet assayed, quantifies uncertainty of predicted activity, and adjusts for multiplicity in hypothesis testing. Furthermore, this paper makes a novel attempt in toxicology to simultaneously model heteroscedastic errors and a nonparametric mean function, leading to a broader definition of activity whose need has been suggested by toxicologists. Real application identifies chemicals most likely active for neurodevelopmental disorders and obesity.

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用于假设检验的贝叶斯矩阵补全。
我们的目标是通过检测终点组合来推断每种化学品的生物活性,从而解决毒理学数据稀缺的问题。我们提出了一个贝叶斯分层框架,该框架可借用不同化学品和检测终点的信息,便于对尚未检测的化学品进行样本外活性预测,量化预测活性的不确定性,并在假设检验中调整多重性。此外,本文还在毒理学方面做出了新的尝试,即同时模拟异方差误差和非参数平均函数,从而为活性下一个更宽泛的定义,毒理学家已提出了这一需求。实际应用确定了最有可能对神经发育障碍和肥胖具有活性的化学物质。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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